(4-bromo-1-propan-2-ylpyrrol-2-yl)-[4-methyl-4-(methylamino)piperidin-1-yl]methanone

C15H24BrN3O — CID 115304310

IUPAC(4-bromo-1-propan-2-ylpyrrol-2-yl)-[4-methyl-4-(methylamino)piperidin-1-yl]methanone
SMILESCNC1(C)CCN(C(=O)c2cc(Br)cn2C(C)C)CC1
InChIInChI=1S/C15H24BrN3O/c1-11(2)19-10-12(16)9-13(19)14(20)18-7-5-15(3,17-4)6-8-18/h9-11,17H,5-8H2,1-4H3
InChIKeyRJJHDEJIRNTMJC-UHFFFAOYSA-N
MW342.28 g/mol
LogP3.05
Rot. Bonds3

About (4-bromo-1-propan-2-ylpyrrol-2-yl)-[4-methyl-4-(methylamino)piperidin-1-yl]methanone

(4-bromo-1-propan-2-ylpyrrol-2-yl)-[4-methyl-4-(methylamino)piperidin-1-yl]methanone (PubChem CID 115304310) has the molecular formula C15H24BrN3O and a molecular weight of 342.28 g/mol. Its IUPAC name is (4-bromo-1-propan-2-ylpyrrol-2-yl)-[4-methyl-4-(methylamino)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(4-bromo-1-propan-2-ylpyrrol-2-yl)-[4-methyl-4-(methylamino)piperidin-1-yl]methanone
PubChem CID115304310
Molecular FormulaC15H24BrN3O
Molecular Weight342.28 g/mol
Exact Mass341.11
IUPAC Name(4-bromo-1-propan-2-ylpyrrol-2-yl)-[4-methyl-4-(methylamino)piperidin-1-yl]methanone
SMILESCNC1(C)CCN(C(=O)c2cc(Br)cn2C(C)C)CC1
InChIInChI=1S/C15H24BrN3O/c1-11(2)19-10-12(16)9-13(19)14(20)18-7-5-15(3,17-4)6-8-18/h9-11,17H,5-8H2,1-4H3
InChIKeyRJJHDEJIRNTMJC-UHFFFAOYSA-N
XLogP3.05
TPSA37.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.28
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4-bromo-1-ethylpyrrol-2-yl)-[4-methyl-4-(methylamino)piperidin-1-yl]methanone
CID 115304407
[4-methyl-4-(methylamino)piperidin-1-yl]-(1-propan-2-ylpyrrol-2-yl)methanone
CID 115304443
1-(4-bromo-1-propan-2-ylpyrrole-2-carbonyl)-3-ethylpyrrolidine-3-carboxylic acid
CID 63144180
(4-bromo-1-propan-2-ylpyrrol-2-yl)-[4-(hydroxymethyl)piperidin-1-yl]methanone
CID 43641438
1-(4-bromo-1-propan-2-ylpyrrole-2-carbonyl)piperidine-4-carboxamide
CID 43640533
(4-bromo-1-propan-2-ylpyrrol-2-yl)-(1,4-oxazepan-4-yl)methanone
CID 62974750
(4-bromo-1-propan-2-ylpyrrol-2-yl)-(1,4-diazepan-1-yl)methanone;hydrochloride
CID 119418052
(4-bromo-1-propan-2-ylpyrrol-2-yl)-[4-(cyclopropylmethyl)piperazin-1-yl]methanone
CID 60955212
(4-bromo-1-propan-2-ylpyrrol-2-yl)-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)methanone
CID 115768844
(4-bromo-1-propan-2-ylpyrrol-2-yl)-(3-propan-2-ylpyrrolidin-1-yl)methanone
CID 112697874
(4-bromo-1-propan-2-ylpyrrol-2-yl)-[4-(cyclopropylmethylamino)piperidin-1-yl]methanone;hydrochloride
CID 119624857
(3-bromophenyl)-[4-methyl-4-(methylamino)piperidin-1-yl]methanone
CID 115304375

Frequently Asked Questions

What is the IUPAC name of (4-bromo-1-propan-2-ylpyrrol-2-yl)-[4-methyl-4-(methylamino)piperidin-1-yl]methanone?
The IUPAC name of (4-bromo-1-propan-2-ylpyrrol-2-yl)-[4-methyl-4-(methylamino)piperidin-1-yl]methanone (CID 115304310) is (4-bromo-1-propan-2-ylpyrrol-2-yl)-[4-methyl-4-(methylamino)piperidin-1-yl]methanone.
What is the SMILES notation for (4-bromo-1-propan-2-ylpyrrol-2-yl)-[4-methyl-4-(methylamino)piperidin-1-yl]methanone?
The canonical SMILES for (4-bromo-1-propan-2-ylpyrrol-2-yl)-[4-methyl-4-(methylamino)piperidin-1-yl]methanone is CNC1(C)CCN(C(=O)c2cc(Br)cn2C(C)C)CC1.
What is the InChIKey of (4-bromo-1-propan-2-ylpyrrol-2-yl)-[4-methyl-4-(methylamino)piperidin-1-yl]methanone?
The InChIKey is RJJHDEJIRNTMJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24BrN3O/c1-11(2)19-10-12(16)9-13(19)14(20)18-7-5-15(3,17-4)6-8-18/h9-11,17H,5-8H2,1-4H3.
What are the key properties of (4-bromo-1-propan-2-ylpyrrol-2-yl)-[4-methyl-4-(methylamino)piperidin-1-yl]methanone?
(4-bromo-1-propan-2-ylpyrrol-2-yl)-[4-methyl-4-(methylamino)piperidin-1-yl]methanone has a molecular weight of 342.28 g/mol, XLogP of 3.05, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromo-1-propan-2-ylpyrrol-2-yl)-[4-methyl-4-(methylamino)piperidin-1-yl]methanone is sourced from PubChem (CID 115304310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).